Background: Cancer is a major global health challenge, and the search for new, more effective treatments with reduced toxicity is ongoing. Natural compounds from plants, such as those found in Punica granatum (pomegranate), have shown promise as potential anticancer agents. However, to date, no scientific molecular docking studies have been reported that elucidated the mechanism of action of these metabolites. Methods: Molecular docking is a method used to evaluate how well three key compounds from Punica granatum-ellagic acid, punicalagin, and punicalin—bind to the TRIM24 PHD-bromodomain protein, a target known to play a role in cancer progression. Results and Discussion: The docking results indicated that punicalagin demonstrated the highest binding affinity (-8.5 kcal/mol), succeeded by punicallin (-7.8 kcal/mol) and ellagic acid (-6.9 kcal/mol). Both punicalagin and punicalin exhibited enhanced binding interactions relative to methotrexate (-7.4 kcal/mol) and doxorubicin (-7.1 kcal/mol). The study found that Punica granatum metabolites, particularly punicalagin, bind the TRIM24 PHDbromodomain protein best. Punicallin and ellagic acid had higher binding affinities than methotrexate and doxorubicin, two common chemotherapeutics. Therefore, Punica granatum metabolites may be a better and safer alternative to conventional chemotherapy agents, which have many side effects. Conclusion: The findings indicated that metabolites of Punica granatum, particularly punicalagin, may serve as potent anticancer agents capable of inhibiting cancer-associated targets such as TRIM24. This facilitates more inquiry into pharmaceutical development.
Gavate et al. (2026) studied this question.